2-[2-[4-[1-azanyl-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]propan-2-yl]-3-methyl-phenyl]phenyl]ethanenitrile

Systemtic Name: 2-[2-[4-[1-azanyl-3-[4-[2-[2,6-bis(chloranyl)-4-methyl-phenoxy]ethoxy]phenyl]propan-2-yl]-3-methyl-phenyl]phenyl]ethanenitrile Openeye Name: 2-[2-[4-[1-(aminomethyl)-2-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]ethyl]-3-methyl-phenyl]phenyl]acetonitrile CAS Name: 2-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]acetonitrile IUPAC Name: 2-[2-[4-[1-amino-3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]propan-2-yl]-3-methylphenyl]phenyl]acetonitrile Traditional Name: 2-[2-[4-[1-(aminomethyl)-2-[4-[2-(2,6-dichloro-4-methyl-phenoxy)ethoxy]phenyl]ethyl]-3-methyl-phenyl]phenyl]acetonitrile Formula: C33H32Cl2N2O2 MolecularWeight: 559.52538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C3=C(C=C(C=C3)C4=CC=CC=C4CC#N)C)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)OCCOC2=CC=C(C=C2)CC(CN)C3=C(C=C(C=C3)C4=CC=CC=C4CC#N)C)Cl

InChI

InChI=1S/C33H32Cl2N2O2/c1-22-17-31(34)33(32(35)18-22)39-16-15-38-28-10-7-24(8-11-28)20-27(21-37)29-12-9-26(19-23(29)2)30-6-4-3-5-25(30)13-14-36/h3-12,17-19,27H,13,15-16,20-21,37H2,1-2H3